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Updated: Jul 1, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

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iNGNN-DTI:用可解释嵌套图形神经网络和预训练的分子模型预测药物向相互作用

Yan Sun1,2,3, Yan Yi Li4, Carson K Leung2

  • 1Department of Biochemistry, Western University, London, ON, N6G 2V4, Canada.

Bioinformatics (Oxford, England)
|March 7, 2024
PubMed
概括

我们开发了一个可解释的嵌套图形神经网络 (iNGNN-DTI),用于药物向相互作用的预测. 这种模型提高了预测准确度,并提供了对相互作用的洞察力,优于现有方法.

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Biosensor-based High Throughput Biopanning and Bioinformatics Analysis Strategy for the Global Validation of Drug-protein Interactions08:31

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